proto-degalacotigonin | 126643-25-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: proto-degalacotigonin
• 英文别名: protodegalactotigonin；Timosaponin I2；(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 126643-25-2
• 化学式: C₅₆H₉₄O₂₈
• 分子量: 1215.35
• InChiKey: FJLUJBDSFBGOPL-CJGCKEBXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  84
• 可旋转键数：
  18
• 环数：
  10.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  445
• 氢给体数：
  17
• 氢受体数：
  28

反应信息

• 作为反应物：
  描述：

  proto-degalacotigonin 在 almond emulsin 作用下， 以10 mg的产率得到去半乳糖替告皂甙
  参考文献：
  名称：

  Steroidal glycosides from Capsicum annuum

  摘要：

  Four new steroidal glycosides, named capsicosides A-D together with proto-degalactotigonin, were isolated from the roots and seeds of Capsicum annuum var. conoides and Capsicum annuum var. fasciculatum. On the basis of detailed chemical and spectroscopic evidence, the structures of capsicosides A-D were shown to be furostanol glycosides corresponding to gitogenin and tigogenin oligoglycosides. Capsicoside A was regarded as the same compound as the previously described capsicoside, whose structure now needs to be revised according to the data presented in this report.

  DOI：

  10.1016/s0031-9422(00)90366-2

文献信息

• Steroidal glycosides from Capsicum annuum
  作者：Shoji Yahara、Takeshi Ura、Chie Sakamoto、Toshihiro Nohara

  DOI：10.1016/s0031-9422(00)90366-2

  日期：1994.11

  Four new steroidal glycosides, named capsicosides A-D together with proto-degalactotigonin, were isolated from the roots and seeds of Capsicum annuum var. conoides and Capsicum annuum var. fasciculatum. On the basis of detailed chemical and spectroscopic evidence, the structures of capsicosides A-D were shown to be furostanol glycosides corresponding to gitogenin and tigogenin oligoglycosides. Capsicoside A was regarded as the same compound as the previously described capsicoside, whose structure now needs to be revised according to the data presented in this report.